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CAS 17724-36-6 2,3,4,5-Tetrahydro-1H-2-benzazepine hydrochloride molecular structure lightbox
CAS RN: 17724-36-6

2,3,4,5-Tetrahydro-1H-2-benzazepine hydrochloride

  • Product code: SSC-077488
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 17724-36-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

17724-36-6 / 2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride

Standard CAS: 17724-36-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17724-36-6
Multi CAS
No
Molecular Formula
C10H14ClN
Molecular Weight
183.680000
Exact Mass
183.081477
SMILES
C1CC2=CC=CC=C2CNC1.Cl
InChI
InChI=1S/C10H13N.ClH/c1-2-5-10-8-11-7-3-6-9(10)4-1;/h1-2,4-5,11H,3,6-8H2;1H
InChIKey
BFCKHRQBCQWCLU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.72
TPSA
12.03

LogP / Solubility

WLOGP
2.14
MLOGP
1.88
XLogP3
2.14
Consensus LogP
2.05
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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